5-diethylphosphoryloxythiophene-2-carbaldehyde

C9H13O3PS — CID 174615900

IUPAC5-diethylphosphoryloxythiophene-2-carbaldehyde
SMILESCCP(=O)(CC)Oc1ccc(C=O)s1
InChIInChI=1S/C9H13O3PS/c1-3-13(11,4-2)12-9-6-5-8(7-10)14-9/h5-7H,3-4H2,1-2H3
InChIKeyPATMFHODBSDBMU-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.26
Rot. Bonds5

About 5-diethylphosphoryloxythiophene-2-carbaldehyde

5-diethylphosphoryloxythiophene-2-carbaldehyde (PubChem CID 174615900) has the molecular formula C9H13O3PS and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-diethylphosphoryloxythiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-diethylphosphoryloxythiophene-2-carbaldehyde
PubChem CID174615900
Molecular FormulaC9H13O3PS
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name5-diethylphosphoryloxythiophene-2-carbaldehyde
SMILESCCP(=O)(CC)Oc1ccc(C=O)s1
InChIInChI=1S/C9H13O3PS/c1-3-13(11,4-2)12-9-6-5-8(7-10)14-9/h5-7H,3-4H2,1-2H3
InChIKeyPATMFHODBSDBMU-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(5-diethylphosphoryloxythiophen-2-yl)ethanone
CID 174615841
5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde
CID 104562854
(5-formylthiophen-2-yl) acetate
CID 54239970
butane;(5-formylthiophen-2-yl)phosphonic acid
CID 87418398
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263
5-undec-10-enoxythiophene-2-carbaldehyde
CID 21450430
5-methylsulfonylthiophene-2-carbaldehyde
CID 20623963
5-[butyl(methyl)amino]thiophene-2-carbaldehyde
CID 59211607
3-(5-formylthiophen-2-yl)propanoic acid
CID 15115397
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
5-trimethylgermylthiophene-2-carbaldehyde
CID 15686472
5-[2-[4-[2-(5-methoxythiophen-2-yl)ethynyl]phenyl]ethynyl]thiophene-2-carbaldehyde
CID 102202503

Frequently Asked Questions

What is the IUPAC name of 5-diethylphosphoryloxythiophene-2-carbaldehyde?
The IUPAC name of 5-diethylphosphoryloxythiophene-2-carbaldehyde (CID 174615900) is 5-diethylphosphoryloxythiophene-2-carbaldehyde.
What is the SMILES notation for 5-diethylphosphoryloxythiophene-2-carbaldehyde?
The canonical SMILES for 5-diethylphosphoryloxythiophene-2-carbaldehyde is CCP(=O)(CC)Oc1ccc(C=O)s1.
What is the InChIKey of 5-diethylphosphoryloxythiophene-2-carbaldehyde?
The InChIKey is PATMFHODBSDBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3PS/c1-3-13(11,4-2)12-9-6-5-8(7-10)14-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-diethylphosphoryloxythiophene-2-carbaldehyde?
5-diethylphosphoryloxythiophene-2-carbaldehyde has a molecular weight of 232.24 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethylphosphoryloxythiophene-2-carbaldehyde is sourced from PubChem (CID 174615900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).